Vitas-M small molecule compound
tert-butyl (3S)-3-{[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK609026
SMILES CCCNC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H31N3O4 MW 389.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O4/c1-6-11-22-18(25)14(2)23-19(26)17-12-15-9-7-8-10-16(15)13-24(17)20(27)28-21(3,4)5/h7-10,14,17H,6,11-13H2,1-5H3,(H,22,25)(H,23,26)/t14-,17+/m1/s1InChIKey
KRTFMJTUCUKYAU-PBHICJAKSA-NSynonyms
1173677-36-5(S)tertbutyl3(((R)1oxo1(propylamino)propan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1173677365
CCCNC(=O)(C@H)(NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
CCCNC(=O)C(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C
InChI=1SC21H31N3O4c16112218(25)14(2)2319(26)1712159781016(15)1324(17)20(27)2821(34)5h7101417H61113H215H3(H2225)(H2326)t1417+m1s1
MFCD06775248
TERTBUTYL(3S)3(((2R)1OXO1(PROPYLAMINO)PROPAN2YL)CARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLATE
tertbutyl(3S)3(((2R)1oxo1(propylamino)propan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
ZINC000006658996
ZINC06658996
ZINC6658996
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